6-acetyl-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
6-acetyl-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
6-acetyl-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | 8010-1823 |
| Compound Name: | 6-acetyl-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 563.03 |
| Molecular Formula: | C28 H23 Cl N4 O5 S |
| Smiles: | CC1=C(C(c2ccc(cc2)N(C)C)N2C(=N1)SC(=C\c1ccc(c3ccc(c(c3)[N+]([O-])=O)[Cl])o1)\C2=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3942 |
| logD: | 5.3799 |
| logSw: | -6.089 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.275 |
| InChI Key: | CITALNPRCVNXIR-SANMLTNESA-N |